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name Structure Reference Source Properties Activities Metabolism

(1S,2S,5S,7S,10R,11S,15S)-14-[(1S)-1-(dimethylamino)ethyl]-N,2,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-13-en-5-amine

AlkaPlorer ID: AK003151

Synonym: None

IUPAC Name: (3S,5S,8R,9S,10S,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine

Structure

SMILES: CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)C1

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InChI: InChI=1S/C24H42N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h9,16-19,21-22,25H,7-8,10-15H2,1-6H3/t16-,17-,18-,19-,21-,22-,23-,24+/m0/s1

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InChIKey: ODQOCJVSQCAFKC-GSTPBQSSSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Sarcococca saligna Sarcococca Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 358.61400000000015

TPSA？: 15.27

MolLogP？: 5.103500000000006

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Acetylcholinesterase IC50 20417.38 nM 10.1016/j.bmcl.2003.09.034

Metabolism Information